WebMO - Computational chemistry on the WWW
Recent news

WebMO 12.1 is now available for free download!

WebMO 12.1 Pro and Enterprise have a variety of additional features and is available for purchase.

WebMO can now be installed on Windows, Mac, and Unix servers!

March 31, 2020

Error using Clean up Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Running WebMO Jobs » Build Molecule » Error using Clean up « Previous Next »

Author Message
Moshe S
Unregistered guest
Posted on Wednesday, June 06, 2012 - 7:02 pm:   


I use webmo 9.0.010 When drawing a molecule containing either a cation or anion, WebMO expresses an error when using several options in the clean-up menu. For example: If I press comprehensive mechanics, or comprehensive, or mechanics->energy, or mechanics-> optimize, then nothing changes and this pops up: "Mechanics returned an error: see console for details."

If all molecules in the atoms are neutrally charged, then no error message occurs and clean-up works properly.

How can I fix the error so that I can use clean-up on charged molecules?
JR Schmidt
Username: Schmidt

Post Number: 256
Registered: 11-2006
Posted on Wednesday, June 06, 2012 - 7:04 pm:   

For charged species, do NOT use Mechanics. Use the default "Comprehensive Cleanup".

Add Your Message Here
Username: Posting Information:
This is a public posting area. Enter your username and password if you have an account. Otherwise, enter your full name as your username and leave the password blank. Your e-mail address is optional.
Options: Post as "Anonymous"
Enable HTML code in message
Automatically activate URLs in message

Topics | Last Day | Last Week | Tree View | Search | Help/Instructions | Program Credits Administration